1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol

C16H24O2 — CID 106873859

IUPAC1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2ccc(C)c(C)c2)C1
InChIInChI=1S/C16H24O2/c1-12-6-7-14(9-13(12)2)10-16(17)8-4-5-15(11-16)18-3/h6-7,9,15,17H,4-5,8,10-11H2,1-3H3
InChIKeyXZSGZBAVHCINGT-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.17
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol

1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol (PubChem CID 106873859) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
PubChem CID106873859
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2ccc(C)c(C)c2)C1
InChIInChI=1S/C16H24O2/c1-12-6-7-14(9-13(12)2)10-16(17)8-4-5-15(11-16)18-3/h6-7,9,15,17H,4-5,8,10-11H2,1-3H3
InChIKeyXZSGZBAVHCINGT-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106874139
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
1-[(5-bromo-3-pyridinyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873956
1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863
1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63407188
3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol
CID 106823825
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63407030

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol (CID 106873859) is 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol is COC1CCCC(O)(Cc2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol?
The InChIKey is XZSGZBAVHCINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-6-7-14(9-13(12)2)10-16(17)8-4-5-15(11-16)18-3/h6-7,9,15,17H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol?
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol is sourced from PubChem (CID 106873859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).